chempirical

4-Propoxybenzaldehyde

C10H12O2CAS 5736-85-6164.20 g/mol

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OO
AldehydeEther

Properties

Molecular formula
C10H12O2
Molar mass
164.20 g/mol
Exact mass
164.0837 Da
Melting point
268 °C
Boiling point
129–130 °C (at 10 Torr)
logP
2.29Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Identifiers

CAS number
5736-85-6
SMILES
CCCOc1ccc(C=O)cc1
InChIKey
FGXZWMCBNMMYPL-UHFFFAOYSA-N
InChI
InChI=1S/C10H12O2/c1-2-7-12-10-5-3-9(8-11)4-6-10/h3-6,8H,2,7H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzaldehyde, 4-propoxy-
  • Benzaldehyde, p-propoxy-
  • p-Propoxybenzaldehyde
  • 1,4-Propoxybenzaldehyde
  • NSC 32509
  • NSC 406729
  • p-n-Propoxybenzaldehyde
  • 4-Propyloxybenzaldehyde

Work with 4-Propoxybenzaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Butoxybenzaldehyde5736-88-980 % similar 4-(Pentyloxy)benzaldehyde5736-91-477 % similar 4-(Octyloxy)benzaldehyde24083-13-475 % similar 4-(Heptyloxy)benzaldehyde27893-41-075 % similar 4-(Hexyloxy)benzaldehyde5736-94-775 % similar 4-Ethoxybenzaldehyde10031-82-072 % similar 4-(2-Hydroxyethoxy)benzaldehyde22042-73-563 % similar 4-Propylbenzaldehyde28785-06-055 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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